SCHEMBL7817951

SCHEMBL7817951

Cc1ccccc1Nc1nc(N2CCc3ccccc3C2C)c2ccccc2n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.50
LMNA P02545 4/20 0.50
NPC1 O15118 2/20 0.50
PKM P14618 2/20 0.50
RAB9A P51151 2/20 0.50
NFKB1 P19838 1/20 0.50
NFKB2 Q00653 1/20 0.50
RELA Q04206 1/20 0.50
SLC2A1 P11166 3/20 0.46
HPGD P15428 2/20 0.41
MAPK1 P28482 2/20 0.41
MAPT P10636 2/20 0.41
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
HTT P42858 2/20 0.39
ALOX15 P16050 1/20 0.39
HSD17B10 Q99714 1/20 0.39
SOS2 Q07890 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Hydrochloric Acid SCHEMBL7819976 0.99 LMNA (0.52) SMN1; SMN2LMNANPC1PKMRAB9A
SCHEMBL7818494 0.88 LMNA (0.39) SMN1; SMN2LMNANPC1PKMRAB9A
Hydrochloric Acid SCHEMBL7818505 0.88 LMNA (0.41) SMN1; SMN2LMNANPC1PKMRAB9A
SCHEMBL6990980 0.85 CCNA2 (0.37) SMN1; SMN2LMNANPC1PKMRAB9A
Hydrochloric Acid SCHEMBL6993455 0.84 SMN1; SMN2 (0.38) SMN1; SMN2LMNANPC1PKMRAB9A
Hydrochloric Acid SCHEMBL6990604 0.84 SMN1; SMN2 (0.38) SMN1; SMN2LMNANPC1PKMRAB9A
Hydrochloric Acid SCHEMBL6999558 0.84 SMN1; SMN2 (0.38) SMN1; SMN2LMNANPC1PKMRAB9A
SCHEMBL7818488 0.84 MAP4K1 (0.41)
SCHEMBL7818540 0.82 LMNA (0.54) SMN1; SMN2LMNANPC1RAB9AHPGD
Hydrochloric Acid SCHEMBL6997879 0.82 CCNA2 (0.47) SMN1; SMN2LMNANPC1PKMRAB9A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0677049-B1 QUINAZOLINE DERIVATIVES YUHAN CORP LTD (KR) 2001-07-25 EP claimed
EP-0677049-B1 QUINAZOLINE DERIVATIVES YUHAN CORP LTD (KR) 2001-07-25 EP disclosed
US-5686458-A Quinazoline deriviates for treating peptic ulcer YUHAN CORPORATION (KR) 1997-11-11 US disclosed
EP-0677049-A1 QUINAZOLINE DERIVATIVES YUHAN CORPORATION, LTD. (KR) 1995-10-18 EP disclosed
WO-1994014795-A1 QUINAZOLINE DERIVATIVES YUHAN CORPORATION (KR) 1994-07-07 WO disclosed